5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C20H25F2N5O2 — CID 165385670

IUPAC5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCNCC1F
InChIInChI=1S/C20H25F2N5O2/c21-17-11-23-6-5-14(17)13-29-19-18(22)12-24-20(26-19)25-15-1-3-16(4-2-15)27-7-9-28-10-8-27/h1-4,12,14,17,23H,5-11,13H2,(H,24,25,26)
InChIKeyZYKITIIJYFEJBA-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.52
Rot. Bonds6

About 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 165385670) has the molecular formula C20H25F2N5O2 and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID165385670
Molecular FormulaC20H25F2N5O2
Molecular Weight405.45 g/mol
Exact Mass405.20
IUPAC Name5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCNCC1F
InChIInChI=1S/C20H25F2N5O2/c21-17-11-23-6-5-14(17)13-29-19-18(22)12-24-20(26-19)25-15-1-3-16(4-2-15)27-7-9-28-10-8-27/h1-4,12,14,17,23H,5-11,13H2,(H,24,25,26)
InChIKeyZYKITIIJYFEJBA-UHFFFAOYSA-N
XLogP2.52
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 165385670) is 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCNCC1F.
What is the InChIKey of 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is ZYKITIIJYFEJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O2/c21-17-11-23-6-5-14(17)13-29-19-18(22)12-24-20(26-19)25-15-1-3-16(4-2-15)27-7-9-28-10-8-27/h1-4,12,14,17,23H,5-11,13H2,(H,24,25,26).
What are the key properties of 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 405.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(3-fluoropiperidin-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 165385670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).